CID 235571

1-(2-methylphenyl)-3-phenylguanidine

Structural Information

Molecular Formula
C14H15N3
SMILES
CC1=CC=CC=C1N=C(N)NC2=CC=CC=C2
InChI
InChI=1S/C14H15N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h2-10H,1H3,(H3,15,16,17)
InChIKey
IKOWCCQMFQLCGP-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

225.1266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.133876 150.7
[M+Na]+ 248.115818 156.4
[M-H]- 224.119324 158.3
[M+NH4]+ 243.160423 168.2
[M+K]+ 264.089758 152.8
[M+H-H2O]+ 208.123860 142.5
[M+HCOO]- 270.124801 178.3
[M+CH3COO]- 284.140451 198.6
[M+Na-2H]- 246.101266 157.5
[M]+ 225.12605142 147.5
[M]- 225.12714858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe